--- trunk/src/applications/staticProps/Hxy.cpp	2009/11/25 20:02:06	1390
+++ trunk/src/applications/staticProps/Hxy.cpp	2012/09/10 18:38:44	1796
@@ -36,12 +36,12 @@
  * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).             
  * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).          
  * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).          
- * [4]  Vardeman & Gezelter, in progress (2009).                        
+ * [4] Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
+ * [4] , Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). *
  *
- *
  *  Created by Xiuquan Sun on 05/09/06.
  *  @author  Xiuquan Sun 
- *  @version $Id: Hxy.cpp,v 1.8 2009-11-25 20:01:59 gezelter Exp $
+ *  @version $Id$
  *
  */
 
@@ -100,9 +100,9 @@ namespace OpenMD {
       errbin_sum_sq.clear();
       errbin_sq.clear();
       
-      for(int i=0; i < bin.size(); i++)
+      for(unsigned int i=0; i < bin.size(); i++)
 	bin[i].clear();
-      for(int i=0; i < samples.size(); i++)
+      for(unsigned int i=0; i < samples.size(); i++)
 	samples[i].clear();
 
       mag.clear();
@@ -115,26 +115,24 @@ namespace OpenMD {
     int nFrames = reader.getNFrames();
     nProcessed_ = nFrames/step_;
     
-    for(int k=0; k < bin.size(); k++)
+    for(unsigned int k=0; k < bin.size(); k++)
       bin[k].resize(nFrames);
-    for(int k=0; k < samples.size(); k++)
+    for(unsigned int k=0; k < samples.size(); k++)
       samples[k].resize(nFrames);
 
     RealType lenX_, lenY_;
     RealType gridX_, gridY_;
     RealType halfBoxX_, halfBoxY_;
 
-    int binNoX, binNoY;
     RealType interpsum, value;
     int ninterp, px, py, newp;
-    int newx, newy, newindex, index;
+    int newindex, index;
     int new_i, new_j, new_index;
 
     RealType freq_x, freq_y, zero_freq_x, zero_freq_y, freq;
     RealType maxfreqx, maxfreqy, maxfreq;
 
     int whichbin;
-    int nMolecules;
 
     std::fill(sum_bin.begin(), sum_bin.end(), 0.0);
     std::fill(avg_bin.begin(), avg_bin.end(), 0.0);
@@ -145,17 +143,16 @@ namespace OpenMD {
     std::fill(errbin_sum_sq.begin(), errbin_sum_sq.end(), 0.0);
     std::fill(errbin_sq.begin(), errbin_sq.end(), 0.0);
     
-    for(int i=0; i < bin.size(); i++)
+    for(unsigned int i=0; i < bin.size(); i++)
       std::fill(bin[i].begin(), bin[i].end(), 0.0);
     
-    for(int i=0; i < samples.size(); i++)
+    for(unsigned int i=0; i < samples.size(); i++)
       std::fill(samples[i].begin(), samples[i].end(), 0);
     
     for (int istep = 0; istep < nFrames; istep += step_) {
       
       reader.readFrame(istep);
       currentSnapshot_ = info_->getSnapshotManager()->getCurrentSnapshot();
-      nMolecules = info_->getNGlobalMolecules();
       
       Mat3x3d hmat = currentSnapshot_->getHmat();